CID 108639

Ethyl 3,4-dihydroquinoline-1(2h)-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCOC(=O)N1CCCC2=CC=CC=C21

InChI

InChI=1S/C12H15NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8H,2,5,7,9H2,1H3

InChIKey

YQBRPZBLROENTD-UHFFFAOYSA-N

Compound name

ethyl 3,4-dihydro-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 205.11028 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.11756	145.5
[M+Na]+	228.09950	158.0
[M+NH4]+	223.14410	154.2
[M+K]+	244.07344	151.2
[M-H]-	204.10300	147.4
[M+Na-2H]-	226.08495	151.2
[M]+	205.10973	147.7
[M]-	205.11083	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe